logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC03738057

 MMsINC code: MMs03065083
Type: Neutral
Formula: C24H22N2O2
SMILES:   O(c1ccc(cc1)C1NCCc2c1[nH]c1c2cc(OC)cc1)c1ccccc1
InChI:   InChI=1/C24H22N2O2/c1-27-19-11-12-22-21(15-19)20-13-14-25-23(24(20)26-22)16-7-9-18(10-8-16)28-17-5-3-2-4-6-17/h2-12,15,23,25-26H,13-14H2,1H3/t23-/m0/s1

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=101.882 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.452 g/mol  logS: -5.35306  SlogP: 5.29937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0473485  Sterimol/B1: 2.31353  Sterimol/B2: 3.81521  Sterimol/B3: 4.03179
  Sterimol/B4: 9.14769  Sterimol/L: 19.1609 
 
 Surface and Volume Properties
  Accessible surface: 647.056  Positive charged surface: 426.142  Negative charged surface: 215.314  Volume: 365.625
  Hydrophobic surface: 605.319  Hydrophilic surface: 41.737
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03065084
PUBCHEM-ZINC03738057